Geometry & MOs

Info

ID:	203417
PubChem CID:	79827748
Reduced:	N4O4C13H20 (1)
Stoich.:	A4B4C13D20 (1)
Weight, g/mol:	223.14331
ΔH_f, kcal/mol:	-104.07
Dipole, Da:	3.98
IP(EA), eV:	-9.4(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5,6-diaminopyridin-2-yl)amino]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CC(CCCC(C)NC1=NC(=C(C=C1)[N+](=O)[O-])N)C(=O)O

DOS

IR

Vibrations